N-[[(3S)-piperidin-3-yl]methyl]-7-(1H-pyrazol-5-yl)pyrido[3,4-b]pyrazin-5-amine

C16H19N7 — CID 66556534

IUPACN-[[(3S)-piperidin-3-yl]methyl]-7-(1H-pyrazol-5-yl)pyrido[3,4-b]pyrazin-5-amine
SMILESc1cc(-c2cc3nccnc3c(NC[C@H]3CCCNC3)n2)[nH]n1
InChIInChI=1S/C16H19N7/c1-2-11(9-17-4-1)10-20-16-15-14(18-6-7-19-15)8-13(22-16)12-3-5-21-23-12/h3,5-8,11,17H,1-2,4,9-10H2,(H,20,22)(H,21,23)/t11-/m0/s1
InChIKeyAXSPCZXHBHHPJT-NSHDSACASA-N
MW309.38 g/mol
LogP1.83
Rot. Bonds4

About N-[[(3S)-piperidin-3-yl]methyl]-7-(1H-pyrazol-5-yl)pyrido[3,4-b]pyrazin-5-amine

N-[[(3S)-piperidin-3-yl]methyl]-7-(1H-pyrazol-5-yl)pyrido[3,4-b]pyrazin-5-amine (PubChem CID 66556534) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is N-[[(3S)-piperidin-3-yl]methyl]-7-(1H-pyrazol-5-yl)pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound NameN-[[(3S)-piperidin-3-yl]methyl]-7-(1H-pyrazol-5-yl)pyrido[3,4-b]pyrazin-5-amine
PubChem CID66556534
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC NameN-[[(3S)-piperidin-3-yl]methyl]-7-(1H-pyrazol-5-yl)pyrido[3,4-b]pyrazin-5-amine
SMILESc1cc(-c2cc3nccnc3c(NC[C@H]3CCCNC3)n2)[nH]n1
InChIInChI=1S/C16H19N7/c1-2-11(9-17-4-1)10-20-16-15-14(18-6-7-19-15)8-13(22-16)12-3-5-21-23-12/h3,5-8,11,17H,1-2,4,9-10H2,(H,20,22)(H,21,23)/t11-/m0/s1
InChIKeyAXSPCZXHBHHPJT-NSHDSACASA-N
XLogP1.83
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[(3S)-piperidin-3-yl]methyl]-7-(1H-pyrazol-5-yl)pyrido[3,4-b]pyrazin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-piperidin-3-yl]methyl]-7-(1H-pyrazol-5-yl)pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of N-[[(3S)-piperidin-3-yl]methyl]-7-(1H-pyrazol-5-yl)pyrido[3,4-b]pyrazin-5-amine (CID 66556534) is N-[[(3S)-piperidin-3-yl]methyl]-7-(1H-pyrazol-5-yl)pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for N-[[(3S)-piperidin-3-yl]methyl]-7-(1H-pyrazol-5-yl)pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for N-[[(3S)-piperidin-3-yl]methyl]-7-(1H-pyrazol-5-yl)pyrido[3,4-b]pyrazin-5-amine is c1cc(-c2cc3nccnc3c(NC[C@H]3CCCNC3)n2)[nH]n1.
What is the InChIKey of N-[[(3S)-piperidin-3-yl]methyl]-7-(1H-pyrazol-5-yl)pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is AXSPCZXHBHHPJT-NSHDSACASA-N. The full InChI is InChI=1S/C16H19N7/c1-2-11(9-17-4-1)10-20-16-15-14(18-6-7-19-15)8-13(22-16)12-3-5-21-23-12/h3,5-8,11,17H,1-2,4,9-10H2,(H,20,22)(H,21,23)/t11-/m0/s1.
What are the key properties of N-[[(3S)-piperidin-3-yl]methyl]-7-(1H-pyrazol-5-yl)pyrido[3,4-b]pyrazin-5-amine?
N-[[(3S)-piperidin-3-yl]methyl]-7-(1H-pyrazol-5-yl)pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 309.38 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-piperidin-3-yl]methyl]-7-(1H-pyrazol-5-yl)pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 66556534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).