(3S)-N-tert-butyl-1-[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-amine

C23H31N7 — CID 168976925

About (3S)-N-tert-butyl-1-[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-amine

(3S)-N-tert-butyl-1-[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-amine (PubChem CID 168976925) has the molecular formula C23H31N7 and a molecular weight of 405.55 g/mol. Its IUPAC name is (3S)-N-tert-butyl-1-[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-amine.

Molecular Properties

• Compound Name: (3S)-N-tert-butyl-1-[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-amine
• PubChem CID: 168976925
• Molecular Formula: C23H31N7
• Molecular Weight: 405.55 g/mol
• Exact Mass: 405.26
• IUPAC Name: (3S)-N-tert-butyl-1-[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-amine
• SMILES: Cn1ncc2c1CCN(c1ccc3nc(N4CC[C@H](NC(C)(C)C)C4)ccc3n1)C2
• InChI: InChI=1S/C23H31N7/c1-23(2,3)27-17-9-11-30(15-17)22-8-6-18-19(26-22)5-7-21(25-18)29-12-10-20-16(14-29)13-24-28(20)4/h5-8,13,17,27H,9-12,14-15H2,1-4H3/t17-/m0/s1
• InChIKey: NVQUUVKXGCPFJX-KRWDZBQOSA-N
• XLogP: 2.89
• TPSA: 62.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.55
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3S)-N-tert-butyl-1-[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-amine?

The IUPAC name of (3S)-N-tert-butyl-1-[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-amine (CID 168976925) is (3S)-N-tert-butyl-1-[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-amine.

What is the SMILES notation for (3S)-N-tert-butyl-1-[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-amine?

The canonical SMILES for (3S)-N-tert-butyl-1-[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-amine is Cn1ncc2c1CCN(c1ccc3nc(N4CC[C@H](NC(C)(C)C)C4)ccc3n1)C2.

What is the InChIKey of (3S)-N-tert-butyl-1-[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-amine?

The InChIKey is NVQUUVKXGCPFJX-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H31N7/c1-23(2,3)27-17-9-11-30(15-17)22-8-6-18-19(26-22)5-7-21(25-18)29-12-10-20-16(14-29)13-24-28(20)4/h5-8,13,17,27H,9-12,14-15H2,1-4H3/t17-/m0/s1.

What are the key properties of (3S)-N-tert-butyl-1-[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-amine?

(3S)-N-tert-butyl-1-[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-amine has a molecular weight of 405.55 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-tert-butyl-1-[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 168976925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).