N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine

C20H20N8 — CID 18697939

IUPACN-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine
SMILESc1cc(-c2ccc(N3CCNCC3)nc2)nc(Nc2ccc3cn[nH]c3c2)n1
InChIInChI=1S/C20H20N8/c1-3-16(11-18-15(1)13-24-27-18)25-20-22-6-5-17(26-20)14-2-4-19(23-12-14)28-9-7-21-8-10-28/h1-6,11-13,21H,7-10H2,(H,24,27)(H,22,25,26)
InChIKeyAWHXWNIHKKBDPK-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.57
Rot. Bonds4

About N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine

N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine (PubChem CID 18697939) has the molecular formula C20H20N8 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine.

Molecular Properties

Compound NameN-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine
PubChem CID18697939
Molecular FormulaC20H20N8
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC NameN-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine
SMILESc1cc(-c2ccc(N3CCNCC3)nc2)nc(Nc2ccc3cn[nH]c3c2)n1
InChIInChI=1S/C20H20N8/c1-3-16(11-18-15(1)13-24-27-18)25-20-22-6-5-17(26-20)14-2-4-19(23-12-14)28-9-7-21-8-10-28/h1-6,11-13,21H,7-10H2,(H,24,27)(H,22,25,26)
InChIKeyAWHXWNIHKKBDPK-UHFFFAOYSA-N
XLogP2.57
TPSA94.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine with MolForge

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Related Compounds

4-[[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenol
CID 18545602
N-(3,5-dimethylphenyl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 18545620
3-chloroaniline;N-(3-chlorophenyl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 70342501
2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile
CID 78324428
3,4-dimethoxyaniline;N-[(3,4-dimethoxyphenyl)methyl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 70341186
N-(1H-indazol-6-yl)-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574865
5-[[5-methyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66660070
8-(3-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
CID 118162900
N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 175733112
4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine
CID 142615716
N-(3-ethyl-4,5-dimethoxyphenyl)-4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine
CID 142616294
5-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 141215033

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine?
The IUPAC name of N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine (CID 18697939) is N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine.
What is the SMILES notation for N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine?
The canonical SMILES for N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine is c1cc(-c2ccc(N3CCNCC3)nc2)nc(Nc2ccc3cn[nH]c3c2)n1.
What is the InChIKey of N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine?
The InChIKey is AWHXWNIHKKBDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8/c1-3-16(11-18-15(1)13-24-27-18)25-20-22-6-5-17(26-20)14-2-4-19(23-12-14)28-9-7-21-8-10-28/h1-6,11-13,21H,7-10H2,(H,24,27)(H,22,25,26).
What are the key properties of N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine?
N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine has a molecular weight of 372.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine is sourced from PubChem (CID 18697939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).