4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C14H17N7 — CID 171446103

IUPAC4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESNc1nc(N2CCCC(c3ccn[nH]3)C2)c2cc[nH]c2n1
InChIInChI=1S/C14H17N7/c15-14-18-12-10(3-5-16-12)13(19-14)21-7-1-2-9(8-21)11-4-6-17-20-11/h3-6,9H,1-2,7-8H2,(H,17,20)(H3,15,16,18,19)
InChIKeyMPFDMIZDVLUDKB-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.65
Rot. Bonds2

About 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 171446103) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID171446103
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESNc1nc(N2CCCC(c3ccn[nH]3)C2)c2cc[nH]c2n1
InChIInChI=1S/C14H17N7/c15-14-18-12-10(3-5-16-12)13(19-14)21-7-1-2-9(8-21)11-4-6-17-20-11/h3-6,9H,1-2,7-8H2,(H,17,20)(H3,15,16,18,19)
InChIKeyMPFDMIZDVLUDKB-UHFFFAOYSA-N
XLogP1.65
TPSA99.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine
CID 171446063
4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[3,2-d]pyrimidin-2-amine
CID 171446303
2-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 95199685
4-[4-(aminomethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 141251059
4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 131901668
4-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 175879528
1-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 97075285
(3S)-1-tert-butyl-3-(1H-pyrazol-5-yl)piperidine
CID 176612652
4-chloro-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,8-naphthyridine
CID 167863990
4-[2-[(methoxyamino)methyl]morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 143698242
N-[3-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]pyrimidin-2-amine
CID 129395833
8-fluoro-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]quinoline
CID 99793011

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 171446103) is 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is Nc1nc(N2CCCC(c3ccn[nH]3)C2)c2cc[nH]c2n1.
What is the InChIKey of 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is MPFDMIZDVLUDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c15-14-18-12-10(3-5-16-12)13(19-14)21-7-1-2-9(8-21)11-4-6-17-20-11/h3-6,9H,1-2,7-8H2,(H,17,20)(H3,15,16,18,19).
What are the key properties of 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 283.34 g/mol, XLogP of 1.65, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 171446103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).