5-(2-amino-4-pyridinyl)-N-[(1S)-1-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]propyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C25H31N9 — CID 168933837

IUPAC5-(2-amino-4-pyridinyl)-N-[(1S)-1-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]propyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC[C@H](Nc1ncnc2[nH]cc(-c3ccnc(N)c3)c12)c1cccc(N2C[C@@H](C)N[C@@H](C)C2)n1
InChIInChI=1S/C25H31N9/c1-4-19(20-6-5-7-22(32-20)34-12-15(2)31-16(3)13-34)33-25-23-18(11-28-24(23)29-14-30-25)17-8-9-27-21(26)10-17/h5-11,14-16,19,31H,4,12-13H2,1-3H3,(H2,26,27)(H2,28,29,30,33)/t15-,16+,19-/m0/s1
InChIKeyFUCVCQKFAZBUAH-FCEWJHQRSA-N
MW457.59 g/mol
LogP3.75
Rot. Bonds6

About 5-(2-amino-4-pyridinyl)-N-[(1S)-1-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]propyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5-(2-amino-4-pyridinyl)-N-[(1S)-1-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]propyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 168933837) has the molecular formula C25H31N9 and a molecular weight of 457.59 g/mol. Its IUPAC name is 5-(2-amino-4-pyridinyl)-N-[(1S)-1-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]propyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-amino-4-pyridinyl)-N-[(1S)-1-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]propyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID168933837
Molecular FormulaC25H31N9
Molecular Weight457.59 g/mol
Exact Mass457.27
IUPAC Name5-(2-amino-4-pyridinyl)-N-[(1S)-1-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]propyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC[C@H](Nc1ncnc2[nH]cc(-c3ccnc(N)c3)c12)c1cccc(N2C[C@@H](C)N[C@@H](C)C2)n1
InChIInChI=1S/C25H31N9/c1-4-19(20-6-5-7-22(32-20)34-12-15(2)31-16(3)13-34)33-25-23-18(11-28-24(23)29-14-30-25)17-8-9-27-21(26)10-17/h5-11,14-16,19,31H,4,12-13H2,1-3H3,(H2,26,27)(H2,28,29,30,33)/t15-,16+,19-/m0/s1
InChIKeyFUCVCQKFAZBUAH-FCEWJHQRSA-N
XLogP3.75
TPSA120.67 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.59
LogP ≤ 53.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-(2-amino-4-pyridinyl)-N-[(1S)-1-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]propyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

5-(2-amino-4-pyridinyl)-N-[[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 168933672
5-bromo-N-[(1S)-1-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]propyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine
CID 168933648
3-[6-[[[5-(2-amino-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]propan-1-ol
CID 168933860
4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine
CID 135336168
N-[[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]methyl]-5-(oxolan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 168933861
4-[4-[[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]oxan-4-ol
CID 168933814
4-[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine
CID 166635400
3-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
CID 72706341
N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 165034557
N-[[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]methyl]-3-(oxan-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 168933873
3-bromo-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrazin-2-amine;3-(2,3-dichlorophenyl)-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrazin-2-amine
CID 157262934
3-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]-5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253745

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-pyridinyl)-N-[(1S)-1-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]propyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(2-amino-4-pyridinyl)-N-[(1S)-1-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]propyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 168933837) is 5-(2-amino-4-pyridinyl)-N-[(1S)-1-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]propyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(2-amino-4-pyridinyl)-N-[(1S)-1-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]propyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(2-amino-4-pyridinyl)-N-[(1S)-1-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]propyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CC[C@H](Nc1ncnc2[nH]cc(-c3ccnc(N)c3)c12)c1cccc(N2C[C@@H](C)N[C@@H](C)C2)n1.
What is the InChIKey of 5-(2-amino-4-pyridinyl)-N-[(1S)-1-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]propyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is FUCVCQKFAZBUAH-FCEWJHQRSA-N. The full InChI is InChI=1S/C25H31N9/c1-4-19(20-6-5-7-22(32-20)34-12-15(2)31-16(3)13-34)33-25-23-18(11-28-24(23)29-14-30-25)17-8-9-27-21(26)10-17/h5-11,14-16,19,31H,4,12-13H2,1-3H3,(H2,26,27)(H2,28,29,30,33)/t15-,16+,19-/m0/s1.
What are the key properties of 5-(2-amino-4-pyridinyl)-N-[(1S)-1-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]propyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5-(2-amino-4-pyridinyl)-N-[(1S)-1-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]propyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 457.59 g/mol, XLogP of 3.75, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-pyridinyl)-N-[(1S)-1-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]propyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 168933837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).