7-(5-chloro-6-methyl-1H-indazol-4-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine

C30H36ClFN8O — CID 170320911

IUPAC7-(5-chloro-6-methyl-1H-indazol-4-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1cc2[nH]ncc2c(-c2ncc3c(NCC4(N(C)C)CCC4)nc(OCC45CCCN4CCC5)nc3c2F)c1Cl
InChIInChI=1S/C30H36ClFN8O/c1-18-13-21-19(15-35-38-21)22(23(18)31)26-24(32)25-20(14-33-26)27(34-16-29(39(2)3)7-4-8-29)37-28(36-25)41-17-30-9-5-11-40(30)12-6-10-30/h13-15H,4-12,16-17H2,1-3H3,(H,35,38)(H,34,36,37)
InChIKeyMHHPWTUIANKOIO-UHFFFAOYSA-N
MW579.12 g/mol
LogP5.57
Rot. Bonds8

About 7-(5-chloro-6-methyl-1H-indazol-4-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine

7-(5-chloro-6-methyl-1H-indazol-4-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 170320911) has the molecular formula C30H36ClFN8O and a molecular weight of 579.12 g/mol. Its IUPAC name is 7-(5-chloro-6-methyl-1H-indazol-4-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(5-chloro-6-methyl-1H-indazol-4-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine
PubChem CID170320911
Molecular FormulaC30H36ClFN8O
Molecular Weight579.12 g/mol
Exact Mass578.27
IUPAC Name7-(5-chloro-6-methyl-1H-indazol-4-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1cc2[nH]ncc2c(-c2ncc3c(NCC4(N(C)C)CCC4)nc(OCC45CCCN4CCC5)nc3c2F)c1Cl
InChIInChI=1S/C30H36ClFN8O/c1-18-13-21-19(15-35-38-21)22(23(18)31)26-24(32)25-20(14-33-26)27(34-16-29(39(2)3)7-4-8-29)37-28(36-25)41-17-30-9-5-11-40(30)12-6-10-30/h13-15H,4-12,16-17H2,1-3H3,(H,35,38)(H,34,36,37)
InChIKeyMHHPWTUIANKOIO-UHFFFAOYSA-N
XLogP5.57
TPSA95.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.12
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-(5-chloro-6-methyl-1H-indazol-4-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

7-(5-chloro-6-methyl-1H-indazol-4-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-amine
CID 169305631
7-(3-chloro-2-propan-2-ylphenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-amine
CID 169305607
4-[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-yl]-6-methyl-1,4-oxazepan-6-ol
CID 164534702
7-[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-yl]-2λ6-thia-1,3,7,10-tetrazaspiro[4.5]decane 2,2-dioxide
CID 164535167
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-10-[6-methyl-5-(trifluoromethyl)-1H-indazol-4-yl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-amine
CID 172588403
N-[[1-(dimethylamino)cyclobutyl]methyl]-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-(8-propan-2-ylnaphthalen-1-yl)pyrido[4,3-d]pyrimidin-4-amine
CID 170317429
(3R)-1-[2-[[(4aS,7aR)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl]methoxy]-7-(5-chloro-6-methyl-1H-indazol-4-yl)-8-fluoropyrido[4,3-d]pyrimidin-4-yl]-3-methylpiperidin-3-ol
CID 170956514
4-[4-[[1-(dimethylamino)cyclobutyl]methylamino]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-ethynylnaphthalen-2-ol
CID 169305583
30-fluoro-24-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-9-methyl-5,6,16,21,23,25,29-heptazaheptacyclo[24.3.1.117,21.02,10.03,7.011,13.022,27]hentriaconta-1(29),2(10),3(7),4,8,22,24,26(30),27-nonaene
CID 177330375
N-[[1-(dimethylamino)cyclobutyl]methyl]-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-(8-prop-1-ynylnaphthalen-1-yl)pyrido[4,3-d]pyrimidin-4-amine
CID 170317545
7-(6-chloro-5-methyl-1H-indazol-4-yl)-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]pyrido[4,3-d]pyrimidine
CID 164521637
1-N-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 169305623

Frequently Asked Questions

What is the IUPAC name of 7-(5-chloro-6-methyl-1H-indazol-4-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(5-chloro-6-methyl-1H-indazol-4-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine (CID 170320911) is 7-(5-chloro-6-methyl-1H-indazol-4-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(5-chloro-6-methyl-1H-indazol-4-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(5-chloro-6-methyl-1H-indazol-4-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine is Cc1cc2[nH]ncc2c(-c2ncc3c(NCC4(N(C)C)CCC4)nc(OCC45CCCN4CCC5)nc3c2F)c1Cl.
What is the InChIKey of 7-(5-chloro-6-methyl-1H-indazol-4-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is MHHPWTUIANKOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36ClFN8O/c1-18-13-21-19(15-35-38-21)22(23(18)31)26-24(32)25-20(14-33-26)27(34-16-29(39(2)3)7-4-8-29)37-28(36-25)41-17-30-9-5-11-40(30)12-6-10-30/h13-15H,4-12,16-17H2,1-3H3,(H,35,38)(H,34,36,37).
What are the key properties of 7-(5-chloro-6-methyl-1H-indazol-4-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine?
7-(5-chloro-6-methyl-1H-indazol-4-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 579.12 g/mol, XLogP of 5.57, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chloro-6-methyl-1H-indazol-4-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 170320911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).