(3S)-4-[7-(1H-indazol-6-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine

C24H27N7O2 — CID 141206084

IUPAC(3S)-4-[7-(1H-indazol-6-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc4cn[nH]c4c3)nc2n1
InChIInChI=1S/C24H27N7O2/c1-15-13-32-9-7-30(15)23-19-5-6-20(17-3-4-18-12-25-29-21(18)11-17)26-22(19)27-24(28-23)31-8-10-33-14-16(31)2/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3,(H,25,29)/t15-,16-/m0/s1
InChIKeyNNUZEKLMOOCLFU-HOTGVXAUSA-N
MW445.53 g/mol
LogP3.02
Rot. Bonds3

About (3S)-4-[7-(1H-indazol-6-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine

(3S)-4-[7-(1H-indazol-6-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 141206084) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is (3S)-4-[7-(1H-indazol-6-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3S)-4-[7-(1H-indazol-6-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
PubChem CID141206084
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name(3S)-4-[7-(1H-indazol-6-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc4cn[nH]c4c3)nc2n1
InChIInChI=1S/C24H27N7O2/c1-15-13-32-9-7-30(15)23-19-5-6-20(17-3-4-18-12-25-29-21(18)11-17)26-22(19)27-24(28-23)31-8-10-33-14-16(31)2/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3,(H,25,29)/t15-,16-/m0/s1
InChIKeyNNUZEKLMOOCLFU-HOTGVXAUSA-N
XLogP3.02
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3S)-4-[7-(1H-indazol-6-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine with MolForge

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Related Compounds

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Apy0201
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4-[4-(3-Quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine
CID 60182389
N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
CID 9998128
Pyrazolo pyrimidine, 5k
CID 25196900
4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-yl]morpholine
CID 25229526
Pyrazolo pyrimidine, 5l
CID 44520816
6-(1H-indol-5-yl)-4-morpholin-4-yl-1-piperidin-4-yl-1H-pyrazolo[3,4-d]pyrimidine
CID 44520824
6-[2-Amino-6-(Morpholin-4-Yl)pyrimidin-4-Yl]-2h-Indazol-3-Amine
CID 46214653
6-{2-Amino-6-[(3r)-3-Methylmorpholin-4-Yl]pyrimidin-4-Yl}-2h-Indazol-3-Amine
CID 46215988
2-(1-{[2-(2h-Indazol-4-Yl)-4-(Morpholin-4-Yl)pyrido[3,2-D]pyrimidin-6-Yl]methyl}piperidin-4-Yl)propan-2-Ol
CID 53378156
N2-(2,6-dimorpholinopyridin-4-yl)-N4-(1H-indazol-4-yl)-N4-methylpyrimidine-2,4-diamine
CID 42645046

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[7-(1H-indazol-6-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of (3S)-4-[7-(1H-indazol-6-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine (CID 141206084) is (3S)-4-[7-(1H-indazol-6-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for (3S)-4-[7-(1H-indazol-6-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for (3S)-4-[7-(1H-indazol-6-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine is C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc4cn[nH]c4c3)nc2n1.
What is the InChIKey of (3S)-4-[7-(1H-indazol-6-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is NNUZEKLMOOCLFU-HOTGVXAUSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-15-13-32-9-7-30(15)23-19-5-6-20(17-3-4-18-12-25-29-21(18)11-17)26-22(19)27-24(28-23)31-8-10-33-14-16(31)2/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3,(H,25,29)/t15-,16-/m0/s1.
What are the key properties of (3S)-4-[7-(1H-indazol-6-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
(3S)-4-[7-(1H-indazol-6-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 445.53 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[7-(1H-indazol-6-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 141206084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).