[1-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol

C23H30N6O2 — CID 130228611

IUPAC[1-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol
SMILESCc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(N3CCC(CO)CC3)c12
InChIInChI=1S/C23H30N6O2/c1-15-12-24-22(18-3-6-25-27-18)23-21(15)19(28-7-4-17(13-30)5-8-28)11-20(26-23)29-9-10-31-14-16(29)2/h3,6,11-12,16-17,30H,4-5,7-10,13-14H2,1-2H3,(H,25,27)/t16-/m1/s1
InChIKeyZKHUNSZQDLJQTM-MRXNPFEDSA-N
MW422.53 g/mol
LogP2.76
Rot. Bonds4

About [1-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol

[1-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol (PubChem CID 130228611) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is [1-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol
PubChem CID130228611
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name[1-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol
SMILESCc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(N3CCC(CO)CC3)c12
InChIInChI=1S/C23H30N6O2/c1-15-12-24-22(18-3-6-25-27-18)23-21(15)19(28-7-4-17(13-30)5-8-28)11-20(26-23)29-9-10-31-14-16(29)2/h3,6,11-12,16-17,30H,4-5,7-10,13-14H2,1-2H3,(H,25,27)/t16-/m1/s1
InChIKeyZKHUNSZQDLJQTM-MRXNPFEDSA-N
XLogP2.76
TPSA90.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Elimusertib
CID 118869362
2-(1-{[2-(2h-Indazol-4-Yl)-4-(Morpholin-4-Yl)pyrido[3,2-D]pyrimidin-6-Yl]methyl}piperidin-4-Yl)propan-2-Ol
CID 53378156
(1-(1-(2-ethoxyethyl)-3-ethyl-7-(4-methylpyridin-2-ylamino)-1H-pyrazolo[4,3-d]pyrimidin-5-yl)piperidin-4-yl)methanol
CID 11611915
N-(oxan-4-yl)-4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]pyridin-2-amine
CID 46899554
(S)-1-(6-(5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)piperidin-3-amine
CID 71253342
3-(6-(piperazin-1-yl)pyridin-2-yl)-5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253554
4-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine
CID 71253640
5-(5-methyl-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253796
5-(6-methylpyrazin-2-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71254178
N-(6-(3H-imidazo[4,5-b]pyridin-6-yl)-2-morpholinopyrimidin-4-yl)quinolin-3-amine
CID 53321410
3-(2-morpholin-4-yl-4-pyridinyl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 56940771
7-(1-methylpyrazol-4-yl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 66556035

Frequently Asked Questions

What is the IUPAC name of [1-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol (CID 130228611) is [1-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol is Cc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(N3CCC(CO)CC3)c12.
What is the InChIKey of [1-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol?
The InChIKey is ZKHUNSZQDLJQTM-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-15-12-24-22(18-3-6-25-27-18)23-21(15)19(28-7-4-17(13-30)5-8-28)11-20(26-23)29-9-10-31-14-16(29)2/h3,6,11-12,16-17,30H,4-5,7-10,13-14H2,1-2H3,(H,25,27)/t16-/m1/s1.
What are the key properties of [1-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol?
[1-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol has a molecular weight of 422.53 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 130228611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).