(3R)-4-[7-[1-[(3R)-3-fluoropiperidin-4-yl]-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine

C24H30FN9O — CID 168678884

IUPAC(3R)-4-[7-[1-[(3R)-3-fluoropiperidin-4-yl]-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
SMILESCc1nn(C2CCNC[C@H]2F)c(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)cnn12
InChIInChI=1S/C24H30FN9O/c1-14-13-35-9-8-32(14)22-10-21(34-24(29-22)17(11-28-34)19-4-7-27-30-19)23-15(2)31-33(16(23)3)20-5-6-26-12-18(20)25/h4,7,10-11,14,18,20,26H,5-6,8-9,12-13H2,1-3H3,(H,27,30)/t14-,18-,20?/m1/s1
InChIKeySPWTVBZJLKMQDC-GNTSEGDPSA-N
MW479.56 g/mol
LogP2.70
Rot. Bonds4

About (3R)-4-[7-[1-[(3R)-3-fluoropiperidin-4-yl]-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine

(3R)-4-[7-[1-[(3R)-3-fluoropiperidin-4-yl]-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine (PubChem CID 168678884) has the molecular formula C24H30FN9O and a molecular weight of 479.56 g/mol. Its IUPAC name is (3R)-4-[7-[1-[(3R)-3-fluoropiperidin-4-yl]-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[7-[1-[(3R)-3-fluoropiperidin-4-yl]-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
PubChem CID168678884
Molecular FormulaC24H30FN9O
Molecular Weight479.56 g/mol
Exact Mass479.26
IUPAC Name(3R)-4-[7-[1-[(3R)-3-fluoropiperidin-4-yl]-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
SMILESCc1nn(C2CCNC[C@H]2F)c(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)cnn12
InChIInChI=1S/C24H30FN9O/c1-14-13-35-9-8-32(14)22-10-21(34-24(29-22)17(11-28-34)19-4-7-27-30-19)23-15(2)31-33(16(23)3)20-5-6-26-12-18(20)25/h4,7,10-11,14,18,20,26H,5-6,8-9,12-13H2,1-3H3,(H,27,30)/t14-,18-,20?/m1/s1
InChIKeySPWTVBZJLKMQDC-GNTSEGDPSA-N
XLogP2.70
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (3R)-4-[7-[1-[(3R)-3-fluoropiperidin-4-yl]-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine with MolForge

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Related Compounds

(3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
CID 163822192
imino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopropyl]-oxo-λ6-sulfane
CID 169061194
imino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopropyl]-oxo-λ6-sulfane
CID 169061239
5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]-1H-pyridin-2-one
CID 170194206
5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridine-3-carboxamide
CID 170194211
3-[7-[1-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 170053225
tert-butyl 4-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-[1-methyl-2-(oxan-2-yl)pyrazol-1-ium-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 170194506
3-[7-[3,5-dimethyl-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 170053227
4-[8-cyclohexyl-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-3-methylmorpholine
CID 155454521
(3R)-4-[4-(2-ethylpyrazol-3-yl)-5-methyl-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
CID 169096561
3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-4-[3-methyl-1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 176647524
(3R)-4-[4-chloro-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
CID 155454721

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[7-[1-[(3R)-3-fluoropiperidin-4-yl]-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[7-[1-[(3R)-3-fluoropiperidin-4-yl]-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine (CID 168678884) is (3R)-4-[7-[1-[(3R)-3-fluoropiperidin-4-yl]-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[7-[1-[(3R)-3-fluoropiperidin-4-yl]-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[7-[1-[(3R)-3-fluoropiperidin-4-yl]-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine is Cc1nn(C2CCNC[C@H]2F)c(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)cnn12.
What is the InChIKey of (3R)-4-[7-[1-[(3R)-3-fluoropiperidin-4-yl]-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
The InChIKey is SPWTVBZJLKMQDC-GNTSEGDPSA-N. The full InChI is InChI=1S/C24H30FN9O/c1-14-13-35-9-8-32(14)22-10-21(34-24(29-22)17(11-28-34)19-4-7-27-30-19)23-15(2)31-33(16(23)3)20-5-6-26-12-18(20)25/h4,7,10-11,14,18,20,26H,5-6,8-9,12-13H2,1-3H3,(H,27,30)/t14-,18-,20?/m1/s1.
What are the key properties of (3R)-4-[7-[1-[(3R)-3-fluoropiperidin-4-yl]-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
(3R)-4-[7-[1-[(3R)-3-fluoropiperidin-4-yl]-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine has a molecular weight of 479.56 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[7-[1-[(3R)-3-fluoropiperidin-4-yl]-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine is sourced from PubChem (CID 168678884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).