4-[4,8-bis(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyridin-2-amine

C38H36N14O2 — CID 135313848

IUPAC4-[4,8-bis(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyridin-2-amine
SMILESNc1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cn1.c1cc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)[nH]n1
InChIInChI=1S/C20H19N7O.C18H17N7O/c21-17-2-1-13(12-23-17)15-11-18(27-7-9-28-10-8-27)25-19-14(15)3-5-22-20(19)16-4-6-24-26-16;1-4-19-18(15-3-6-21-24-15)17-12(1)13(14-2-5-20-23-14)11-16(22-17)25-7-9-26-10-8-25/h1-6,11-12H,7-10H2,(H2,21,23)(H,24,26);1-6,11H,7-10H2,(H,20,23)(H,21,24)
InChIKeyLZSBSCAEHLPFJK-UHFFFAOYSA-N
MW720.80 g/mol
LogP4.75
Rot. Bonds6

About 4-[4,8-bis(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyridin-2-amine

4-[4,8-bis(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyridin-2-amine (PubChem CID 135313848) has the molecular formula C38H36N14O2 and a molecular weight of 720.80 g/mol. Its IUPAC name is 4-[4,8-bis(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[4,8-bis(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyridin-2-amine
PubChem CID135313848
Molecular FormulaC38H36N14O2
Molecular Weight720.80 g/mol
Exact Mass720.31
IUPAC Name4-[4,8-bis(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyridin-2-amine
SMILESNc1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cn1.c1cc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)[nH]n1
InChIInChI=1S/C20H19N7O.C18H17N7O/c21-17-2-1-13(12-23-17)15-11-18(27-7-9-28-10-8-27)25-19-14(15)3-5-22-20(19)16-4-6-24-26-16;1-4-19-18(15-3-6-21-24-15)17-12(1)13(14-2-5-20-23-14)11-16(22-17)25-7-9-26-10-8-25/h1-6,11-12H,7-10H2,(H2,21,23)(H,24,26);1-6,11H,7-10H2,(H,20,23)(H,21,24)
InChIKeyLZSBSCAEHLPFJK-UHFFFAOYSA-N
XLogP4.75
TPSA201.45 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.80
LogP ≤ 54.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 4-[4,8-bis(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4,8-bis(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyridin-2-amine?
The IUPAC name of 4-[4,8-bis(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyridin-2-amine (CID 135313848) is 4-[4,8-bis(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[4,8-bis(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[4,8-bis(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyridin-2-amine is Nc1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cn1.c1cc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)[nH]n1.
What is the InChIKey of 4-[4,8-bis(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyridin-2-amine?
The InChIKey is LZSBSCAEHLPFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O.C18H17N7O/c21-17-2-1-13(12-23-17)15-11-18(27-7-9-28-10-8-27)25-19-14(15)3-5-22-20(19)16-4-6-24-26-16;1-4-19-18(15-3-6-21-24-15)17-12(1)13(14-2-5-20-23-14)11-16(22-17)25-7-9-26-10-8-25/h1-6,11-12H,7-10H2,(H2,21,23)(H,24,26);1-6,11H,7-10H2,(H,20,23)(H,21,24).
What are the key properties of 4-[4,8-bis(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyridin-2-amine?
4-[4,8-bis(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyridin-2-amine has a molecular weight of 720.80 g/mol, XLogP of 4.75, 6 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,8-bis(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyridin-2-amine is sourced from PubChem (CID 135313848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).