N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide

C27H30N8O2 — CID 118646927

IUPACN-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide
SMILESCCn1cc(-c2cnc3ccc(C(=O)Nc4cnccc4N4C[C@@H](N)[C@H](O)[C@@H](C5CC5)C4)nc3c2)cn1
InChIInChI=1S/C27H30N8O2/c1-2-35-13-18(11-31-35)17-9-23-21(30-10-17)5-6-22(32-23)27(37)33-24-12-29-8-7-25(24)34-14-19(16-3-4-16)26(36)20(28)15-34/h5-13,16,19-20,26,36H,2-4,14-15,28H2,1H3,(H,33,37)/t19-,20-,26-/m1/s1
InChIKeyCSYUITAHKPJRSS-XMERXJNXSA-N
MW498.59 g/mol
LogP2.69
Rot. Bonds6

About N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide

N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide (PubChem CID 118646927) has the molecular formula C27H30N8O2 and a molecular weight of 498.59 g/mol. Its IUPAC name is N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide
PubChem CID118646927
Molecular FormulaC27H30N8O2
Molecular Weight498.59 g/mol
Exact Mass498.25
IUPAC NameN-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide
SMILESCCn1cc(-c2cnc3ccc(C(=O)Nc4cnccc4N4C[C@@H](N)[C@H](O)[C@@H](C5CC5)C4)nc3c2)cn1
InChIInChI=1S/C27H30N8O2/c1-2-35-13-18(11-31-35)17-9-23-21(30-10-17)5-6-22(32-23)27(37)33-24-12-29-8-7-25(24)34-14-19(16-3-4-16)26(36)20(28)15-34/h5-13,16,19-20,26,36H,2-4,14-15,28H2,1H3,(H,33,37)/t19-,20-,26-/m1/s1
InChIKeyCSYUITAHKPJRSS-XMERXJNXSA-N
XLogP2.69
TPSA135.08 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide 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-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide?
The IUPAC name of N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide (CID 118646927) is N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide is CCn1cc(-c2cnc3ccc(C(=O)Nc4cnccc4N4C[C@@H](N)[C@H](O)[C@@H](C5CC5)C4)nc3c2)cn1.
What is the InChIKey of N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide?
The InChIKey is CSYUITAHKPJRSS-XMERXJNXSA-N. The full InChI is InChI=1S/C27H30N8O2/c1-2-35-13-18(11-31-35)17-9-23-21(30-10-17)5-6-22(32-23)27(37)33-24-12-29-8-7-25(24)34-14-19(16-3-4-16)26(36)20(28)15-34/h5-13,16,19-20,26,36H,2-4,14-15,28H2,1H3,(H,33,37)/t19-,20-,26-/m1/s1.
What are the key properties of N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide?
N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide has a molecular weight of 498.59 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 118646927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).