4-amino-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]pyrimidine-5-carbonitrile

C17H18N8 — CID 143370599

IUPAC4-amino-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(N2CCCC(Nc3ccc4[nH]ncc4c3)C2)nc1N
InChIInChI=1S/C17H18N8/c18-7-12-8-20-17(23-16(12)19)25-5-1-2-14(10-25)22-13-3-4-15-11(6-13)9-21-24-15/h3-4,6,8-9,14,22H,1-2,5,10H2,(H,21,24)(H2,19,20,23)
InChIKeyVLDMVCBISLKMTH-UHFFFAOYSA-N
MW334.39 g/mol
LogP1.89
Rot. Bonds3

About 4-amino-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]pyrimidine-5-carbonitrile

4-amino-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]pyrimidine-5-carbonitrile (PubChem CID 143370599) has the molecular formula C17H18N8 and a molecular weight of 334.39 g/mol. Its IUPAC name is 4-amino-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]pyrimidine-5-carbonitrile
PubChem CID143370599
Molecular FormulaC17H18N8
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name4-amino-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(N2CCCC(Nc3ccc4[nH]ncc4c3)C2)nc1N
InChIInChI=1S/C17H18N8/c18-7-12-8-20-17(23-16(12)19)25-5-1-2-14(10-25)22-13-3-4-15-11(6-13)9-21-24-15/h3-4,6,8-9,14,22H,1-2,5,10H2,(H,21,24)(H2,19,20,23)
InChIKeyVLDMVCBISLKMTH-UHFFFAOYSA-N
XLogP1.89
TPSA119.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(2-fluorophenyl)piperidin-3-yl]-1H-indazol-5-amine
CID 143370381
N-[1-[4-chloro-6-methyl-5-(oxidoamino)pyrimidin-2-yl]piperidin-3-yl]-1H-indazol-5-amine
CID 143370615
N-[1-(3-methylphenyl)piperidin-3-yl]-1H-indazol-5-amine;1,1,1-trifluoroethane
CID 143370588
4-amino-2-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine-5-carbonitrile
CID 95219965
N-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine
CID 62976152
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599070
4-amino-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine-5-carbonitrile
CID 131900302
N-[1-(2,4-dichlorophenyl)piperidin-3-yl]-1H-indazol-6-amine
CID 143370604
N-[(3R)-1-[(3-ethynylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599558
N-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44594373
N-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022538
[3-(1H-indazol-5-ylamino)piperidin-1-yl]-pyridin-2-ylmethanone
CID 117073836

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]pyrimidine-5-carbonitrile (CID 143370599) is 4-amino-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]pyrimidine-5-carbonitrile is N#Cc1cnc(N2CCCC(Nc3ccc4[nH]ncc4c3)C2)nc1N.
What is the InChIKey of 4-amino-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]pyrimidine-5-carbonitrile?
The InChIKey is VLDMVCBISLKMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8/c18-7-12-8-20-17(23-16(12)19)25-5-1-2-14(10-25)22-13-3-4-15-11(6-13)9-21-24-15/h3-4,6,8-9,14,22H,1-2,5,10H2,(H,21,24)(H2,19,20,23).
What are the key properties of 4-amino-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]pyrimidine-5-carbonitrile?
4-amino-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]pyrimidine-5-carbonitrile has a molecular weight of 334.39 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 143370599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).