3-(1-methylpyrazol-4-yl)-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine

C24H29N5O — CID 155426005

IUPAC3-(1-methylpyrazol-4-yl)-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine
SMILESCn1cc(-c2cc(-c3ccc(C4CCOCC4)c([C@@H]4CCCN4)c3)cnc2N)cn1
InChIInChI=1S/C24H29N5O/c1-29-15-19(14-28-29)21-12-18(13-27-24(21)25)17-4-5-20(16-6-9-30-10-7-16)22(11-17)23-3-2-8-26-23/h4-5,11-16,23,26H,2-3,6-10H2,1H3,(H2,25,27)/t23-/m0/s1
InChIKeyOUZXWAIDBUSDRA-QHCPKHFHSA-N
MW403.53 g/mol
LogP4.05
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine

3-(1-methylpyrazol-4-yl)-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine (PubChem CID 155426005) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine
PubChem CID155426005
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name3-(1-methylpyrazol-4-yl)-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine
SMILESCn1cc(-c2cc(-c3ccc(C4CCOCC4)c([C@@H]4CCCN4)c3)cnc2N)cn1
InChIInChI=1S/C24H29N5O/c1-29-15-19(14-28-29)21-12-18(13-27-24(21)25)17-4-5-20(16-6-9-30-10-7-16)22(11-17)23-3-2-8-26-23/h4-5,11-16,23,26H,2-3,6-10H2,1H3,(H2,25,27)/t23-/m0/s1
InChIKeyOUZXWAIDBUSDRA-QHCPKHFHSA-N
XLogP4.05
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine (CID 155426005) is 3-(1-methylpyrazol-4-yl)-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine is Cn1cc(-c2cc(-c3ccc(C4CCOCC4)c([C@@H]4CCCN4)c3)cnc2N)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine?
The InChIKey is OUZXWAIDBUSDRA-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H29N5O/c1-29-15-19(14-28-29)21-12-18(13-27-24(21)25)17-4-5-20(16-6-9-30-10-7-16)22(11-17)23-3-2-8-26-23/h4-5,11-16,23,26H,2-3,6-10H2,1H3,(H2,25,27)/t23-/m0/s1.
What are the key properties of 3-(1-methylpyrazol-4-yl)-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine?
3-(1-methylpyrazol-4-yl)-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine has a molecular weight of 403.53 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine is sourced from PubChem (CID 155426005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).