N-(cyclopropylmethyl)-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-amine

C26H27FN6 — CID 144540732

IUPACN-(cyclopropylmethyl)-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1(C)CNc2nc(-n3nc(Cc4ccccc4F)c4ccccc43)nc(NCC3CC3)c21
InChIInChI=1S/C26H27FN6/c1-26(2)15-29-24-22(26)23(28-14-16-11-12-16)30-25(31-24)33-21-10-6-4-8-18(21)20(32-33)13-17-7-3-5-9-19(17)27/h3-10,16H,11-15H2,1-2H3,(H2,28,29,30,31)
InChIKeyQZTDXNRCFPKXSH-UHFFFAOYSA-N
MW442.54 g/mol
LogP5.07
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-amine

N-(cyclopropylmethyl)-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 144540732) has the molecular formula C26H27FN6 and a molecular weight of 442.54 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID144540732
Molecular FormulaC26H27FN6
Molecular Weight442.54 g/mol
Exact Mass442.23
IUPAC NameN-(cyclopropylmethyl)-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1(C)CNc2nc(-n3nc(Cc4ccccc4F)c4ccccc43)nc(NCC3CC3)c21
InChIInChI=1S/C26H27FN6/c1-26(2)15-29-24-22(26)23(28-14-16-11-12-16)30-25(31-24)33-21-10-6-4-8-18(21)20(32-33)13-17-7-3-5-9-19(17)27/h3-10,16H,11-15H2,1-2H3,(H2,28,29,30,31)
InChIKeyQZTDXNRCFPKXSH-UHFFFAOYSA-N
XLogP5.07
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.54
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,5-dimethyl-4-oxo-6,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde
CID 174732422
4-amino-2-[3-[(2-fluorophenyl)methyl]-5-phenylindazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 67424796
6-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-7-methyl-9H-purin-8-one
CID 162659623
4-amino-2-[5-chloro-3-[(2-fluorophenyl)methyl]indazol-1-yl]-5-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 89438394
2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5,5-dimethyl-4-(3,3,3-trifluoropropoxy)-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 71285464
(4R)-10-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-4-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3,6-dione
CID 169021076
2-[3-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-1-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 145361425
2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5-nitrosopyrimidine-4,6-diamine
CID 89103239
N-(cyclopropylmethyl)phthalazin-1-amine
CID 43419855
4-amino-2-[3-[(2-fluorophenyl)methyl]-4-methylpyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118962295
methyl N-[4,6-diamino-2-[3-[(2,3,6-trifluorophenyl)methyl]indazol-1-yl]pyrimidin-5-yl]carbamate
CID 71201856
5-amino-3-(cyclopropylmethylamino)-1-(2-fluorophenyl)pyrazole-4-carbonitrile
CID 102795506

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-amine (CID 144540732) is N-(cyclopropylmethyl)-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-amine is CC1(C)CNc2nc(-n3nc(Cc4ccccc4F)c4ccccc43)nc(NCC3CC3)c21.
What is the InChIKey of N-(cyclopropylmethyl)-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is QZTDXNRCFPKXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6/c1-26(2)15-29-24-22(26)23(28-14-16-11-12-16)30-25(31-24)33-21-10-6-4-8-18(21)20(32-33)13-17-7-3-5-9-19(17)27/h3-10,16H,11-15H2,1-2H3,(H2,28,29,30,31).
What are the key properties of N-(cyclopropylmethyl)-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-amine?
N-(cyclopropylmethyl)-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 442.54 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 144540732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).