N-[4-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]phenyl]-2-methylpyrrolidine-1-carboxamide

About N-[4-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]phenyl]-2-methylpyrrolidine-1-carboxamide

N-[4-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]phenyl]-2-methylpyrrolidine-1-carboxamide (PubChem CID 176647806) has the molecular formula C26H32N8O2 and a molecular weight of 488.60 g/mol. Its IUPAC name is N-[4-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]phenyl]-2-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name	N-[4-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]phenyl]-2-methylpyrrolidine-1-carboxamide
PubChem CID	176647806
Molecular Formula	C26H32N8O2
Molecular Weight	488.60 g/mol
Exact Mass	488.26
IUPAC Name	N-[4-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]phenyl]-2-methylpyrrolidine-1-carboxamide
SMILES	[H]/N=C/c1c(-c2ccc(NC(=O)N3CCCC3C)cc2)cc(N2CCOC[C@H]2C)nc1Nc1ccn[nH]1
InChI	InChI=1S/C26H32N8O2/c1-17-4-3-11-34(17)26(35)29-20-7-5-19(6-8-20)21-14-24(33-12-13-36-16-18(33)2)31-25(22(21)15-27)30-23-9-10-28-32-23/h5-10,14-15,17-18,27H,3-4,11-13,16H2,1-2H3,(H,29,35)(H2,28,30,31,32)/b27-15+/t17?,18-/m1/s1
InChIKey	ORMHNIOCSSXGIS-VLIQVFIESA-N
XLogP	4.45
TPSA	122.26 Å²
H-Bond Donors	4
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.60
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]phenyl]-2-methylpyrrolidine-1-carboxamide?

The IUPAC name of N-[4-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]phenyl]-2-methylpyrrolidine-1-carboxamide (CID 176647806) is N-[4-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]phenyl]-2-methylpyrrolidine-1-carboxamide.

What is the SMILES notation for N-[4-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]phenyl]-2-methylpyrrolidine-1-carboxamide?

The canonical SMILES for N-[4-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]phenyl]-2-methylpyrrolidine-1-carboxamide is [H]/N=C/c1c(-c2ccc(NC(=O)N3CCCC3C)cc2)cc(N2CCOC[C@H]2C)nc1Nc1ccn[nH]1.

What is the InChIKey of N-[4-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]phenyl]-2-methylpyrrolidine-1-carboxamide?

The InChIKey is ORMHNIOCSSXGIS-VLIQVFIESA-N. The full InChI is InChI=1S/C26H32N8O2/c1-17-4-3-11-34(17)26(35)29-20-7-5-19(6-8-20)21-14-24(33-12-13-36-16-18(33)2)31-25(22(21)15-27)30-23-9-10-28-32-23/h5-10,14-15,17-18,27H,3-4,11-13,16H2,1-2H3,(H,29,35)(H2,28,30,31,32)/b27-15+/t17?,18-/m1/s1.

What are the key properties of N-[4-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]phenyl]-2-methylpyrrolidine-1-carboxamide?

N-[4-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]phenyl]-2-methylpyrrolidine-1-carboxamide has a molecular weight of 488.60 g/mol, XLogP of 4.45, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]phenyl]-2-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 176647806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).