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

C16H19N7 — CID 66556535

IUPACN-[[(3S)-piperidin-3-yl]methyl]-7-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-amine
SMILESc1cnc2c(NC[C@H]3CCCNC3)nc(-c3cn[nH]c3)cc2n1
InChIInChI=1S/C16H19N7/c1-2-11(7-17-3-1)8-20-16-15-14(18-4-5-19-15)6-13(23-16)12-9-21-22-10-12/h4-6,9-11,17H,1-3,7-8H2,(H,20,23)(H,21,22)/t11-/m0/s1
InChIKeyMTOXIGVDKCMGPO-NSHDSACASA-N
MW309.38 g/mol
LogP1.83
Rot. Bonds4

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

N-[[(3S)-piperidin-3-yl]methyl]-7-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-amine (PubChem CID 66556535) 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-4-yl)pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound NameN-[[(3S)-piperidin-3-yl]methyl]-7-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-amine
PubChem CID66556535
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC NameN-[[(3S)-piperidin-3-yl]methyl]-7-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-amine
SMILESc1cnc2c(NC[C@H]3CCCNC3)nc(-c3cn[nH]c3)cc2n1
InChIInChI=1S/C16H19N7/c1-2-11(7-17-3-1)8-20-16-15-14(18-4-5-19-15)6-13(23-16)12-9-21-22-10-12/h4-6,9-11,17H,1-3,7-8H2,(H,20,23)(H,21,22)/t11-/m0/s1
InChIKeyMTOXIGVDKCMGPO-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

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-piperidin-3-yl]methyl]-7-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of N-[[(3S)-piperidin-3-yl]methyl]-7-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-amine (CID 66556535) is N-[[(3S)-piperidin-3-yl]methyl]-7-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for N-[[(3S)-piperidin-3-yl]methyl]-7-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for N-[[(3S)-piperidin-3-yl]methyl]-7-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-amine is c1cnc2c(NC[C@H]3CCCNC3)nc(-c3cn[nH]c3)cc2n1.
What is the InChIKey of N-[[(3S)-piperidin-3-yl]methyl]-7-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is MTOXIGVDKCMGPO-NSHDSACASA-N. The full InChI is InChI=1S/C16H19N7/c1-2-11(7-17-3-1)8-20-16-15-14(18-4-5-19-15)6-13(23-16)12-9-21-22-10-12/h4-6,9-11,17H,1-3,7-8H2,(H,20,23)(H,21,22)/t11-/m0/s1.
What are the key properties of N-[[(3S)-piperidin-3-yl]methyl]-7-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-amine?
N-[[(3S)-piperidin-3-yl]methyl]-7-(1H-pyrazol-4-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-4-yl)pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 66556535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).