4-[4-(2-methylpyrazol-3-yl)-8-[1-(oxan-2-yl)pyrrolo[3,2-b]pyridin-5-yl]-1,7-naphthyridin-2-yl]morpholine

C28H29N7O2 — CID 175912913

IUPAC4-[4-(2-methylpyrazol-3-yl)-8-[1-(oxan-2-yl)pyrrolo[3,2-b]pyridin-5-yl]-1,7-naphthyridin-2-yl]morpholine
SMILESCn1nccc1-c1cc(N2CCOCC2)nc2c(-c3ccc4c(ccn4C4CCCCO4)n3)nccc12
InChIInChI=1S/C28H29N7O2/c1-33-23(8-11-30-33)20-18-25(34-13-16-36-17-14-34)32-27-19(20)7-10-29-28(27)22-5-6-24-21(31-22)9-12-35(24)26-4-2-3-15-37-26/h5-12,18,26H,2-4,13-17H2,1H3
InChIKeyMYTNMXKNKVNNSR-UHFFFAOYSA-N
MW495.59 g/mol
LogP4.58
Rot. Bonds4

About 4-[4-(2-methylpyrazol-3-yl)-8-[1-(oxan-2-yl)pyrrolo[3,2-b]pyridin-5-yl]-1,7-naphthyridin-2-yl]morpholine

4-[4-(2-methylpyrazol-3-yl)-8-[1-(oxan-2-yl)pyrrolo[3,2-b]pyridin-5-yl]-1,7-naphthyridin-2-yl]morpholine (PubChem CID 175912913) has the molecular formula C28H29N7O2 and a molecular weight of 495.59 g/mol. Its IUPAC name is 4-[4-(2-methylpyrazol-3-yl)-8-[1-(oxan-2-yl)pyrrolo[3,2-b]pyridin-5-yl]-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2-methylpyrazol-3-yl)-8-[1-(oxan-2-yl)pyrrolo[3,2-b]pyridin-5-yl]-1,7-naphthyridin-2-yl]morpholine
PubChem CID175912913
Molecular FormulaC28H29N7O2
Molecular Weight495.59 g/mol
Exact Mass495.24
IUPAC Name4-[4-(2-methylpyrazol-3-yl)-8-[1-(oxan-2-yl)pyrrolo[3,2-b]pyridin-5-yl]-1,7-naphthyridin-2-yl]morpholine
SMILESCn1nccc1-c1cc(N2CCOCC2)nc2c(-c3ccc4c(ccn4C4CCCCO4)n3)nccc12
InChIInChI=1S/C28H29N7O2/c1-33-23(8-11-30-33)20-18-25(34-13-16-36-17-14-34)32-27-19(20)7-10-29-28(27)22-5-6-24-21(31-22)9-12-35(24)26-4-2-3-15-37-26/h5-12,18,26H,2-4,13-17H2,1H3
InChIKeyMYTNMXKNKVNNSR-UHFFFAOYSA-N
XLogP4.58
TPSA83.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.59
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869091
(Z)-3-imino-1-[4-(2-methylpyrazol-3-yl)-2-morpholin-4-yl-1,7-naphthyridin-8-yl]prop-1-en-1-amine
CID 174290634
3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(2-propylpyrazol-3-yl)-1,7-naphthyridin-2-yl]morpholine
CID 134446428
4-[4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
CID 118869130
3-methyl-4-[4-(3-methyl-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
CID 134446600
(3R)-4-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 118890738
4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446334
3-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyridin-2-amine
CID 118869281
4-[4-(2,3-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446578
(3R)-3-methyl-4-[4-(2-methyl-6-methylsulfonyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
CID 118890587
4-[4-chloro-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446399
4-[4-cyclopropyl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 118869367

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpyrazol-3-yl)-8-[1-(oxan-2-yl)pyrrolo[3,2-b]pyridin-5-yl]-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(2-methylpyrazol-3-yl)-8-[1-(oxan-2-yl)pyrrolo[3,2-b]pyridin-5-yl]-1,7-naphthyridin-2-yl]morpholine (CID 175912913) is 4-[4-(2-methylpyrazol-3-yl)-8-[1-(oxan-2-yl)pyrrolo[3,2-b]pyridin-5-yl]-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2-methylpyrazol-3-yl)-8-[1-(oxan-2-yl)pyrrolo[3,2-b]pyridin-5-yl]-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(2-methylpyrazol-3-yl)-8-[1-(oxan-2-yl)pyrrolo[3,2-b]pyridin-5-yl]-1,7-naphthyridin-2-yl]morpholine is Cn1nccc1-c1cc(N2CCOCC2)nc2c(-c3ccc4c(ccn4C4CCCCO4)n3)nccc12.
What is the InChIKey of 4-[4-(2-methylpyrazol-3-yl)-8-[1-(oxan-2-yl)pyrrolo[3,2-b]pyridin-5-yl]-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is MYTNMXKNKVNNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O2/c1-33-23(8-11-30-33)20-18-25(34-13-16-36-17-14-34)32-27-19(20)7-10-29-28(27)22-5-6-24-21(31-22)9-12-35(24)26-4-2-3-15-37-26/h5-12,18,26H,2-4,13-17H2,1H3.
What are the key properties of 4-[4-(2-methylpyrazol-3-yl)-8-[1-(oxan-2-yl)pyrrolo[3,2-b]pyridin-5-yl]-1,7-naphthyridin-2-yl]morpholine?
4-[4-(2-methylpyrazol-3-yl)-8-[1-(oxan-2-yl)pyrrolo[3,2-b]pyridin-5-yl]-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 495.59 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpyrazol-3-yl)-8-[1-(oxan-2-yl)pyrrolo[3,2-b]pyridin-5-yl]-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 175912913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).