1-[(3R,4S)-4-(5-cyclopropylthiophen-2-yl)-1-methylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea

C25H27N7OS — CID 121416580

IUPAC1-[(3R,4S)-4-(5-cyclopropylthiophen-2-yl)-1-methylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
SMILESCc1cc(-n2ncc3cc(NC(=O)N[C@H]4CN(C)C[C@@H]4c4ccc(C5CC5)s4)ncc32)ccn1
InChIInChI=1S/C25H27N7OS/c1-15-9-18(7-8-26-15)32-21-12-27-24(10-17(21)11-28-32)30-25(33)29-20-14-31(2)13-19(20)23-6-5-22(34-23)16-3-4-16/h5-12,16,19-20H,3-4,13-14H2,1-2H3,(H2,27,29,30,33)/t19-,20-/m0/s1
InChIKeyBVJGPRJEPFWVON-PMACEKPBSA-N
MW473.61 g/mol
LogP4.28
Rot. Bonds5

About 1-[(3R,4S)-4-(5-cyclopropylthiophen-2-yl)-1-methylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea

1-[(3R,4S)-4-(5-cyclopropylthiophen-2-yl)-1-methylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea (PubChem CID 121416580) has the molecular formula C25H27N7OS and a molecular weight of 473.61 g/mol. Its IUPAC name is 1-[(3R,4S)-4-(5-cyclopropylthiophen-2-yl)-1-methylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea.

Molecular Properties

Compound Name1-[(3R,4S)-4-(5-cyclopropylthiophen-2-yl)-1-methylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
PubChem CID121416580
Molecular FormulaC25H27N7OS
Molecular Weight473.61 g/mol
Exact Mass473.20
IUPAC Name1-[(3R,4S)-4-(5-cyclopropylthiophen-2-yl)-1-methylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
SMILESCc1cc(-n2ncc3cc(NC(=O)N[C@H]4CN(C)C[C@@H]4c4ccc(C5CC5)s4)ncc32)ccn1
InChIInChI=1S/C25H27N7OS/c1-15-9-18(7-8-26-15)32-21-12-27-24(10-17(21)11-28-32)30-25(33)29-20-14-31(2)13-19(20)23-6-5-22(34-23)16-3-4-16/h5-12,16,19-20H,3-4,13-14H2,1-2H3,(H2,27,29,30,33)/t19-,20-/m0/s1
InChIKeyBVJGPRJEPFWVON-PMACEKPBSA-N
XLogP4.28
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.61
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(3R,4S)-4-(5-cyclopropylthiophen-2-yl)-1-methylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-4-(6-(thiophen-2-yl)pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
CID 10286648
Alk-5-IN-1
CID 24880914
1-methyl-3-propan-2-yl-4-(3-thieno[3,2-c]pyridin-2-yl-1H-pyrazolo[4,3-b]pyridin-5-yl)piperazin-2-one
CID 155484604
1-[4-[4-[[8-Methyl-9-(3-methylthiophen-2-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 68059996
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 71555618
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1,2,5-thiadiazol-3-ylmethyl)urea
CID 92044755
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 92044761
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(thiophen-3-ylmethyl)urea
CID 92044791
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1,2-thiazol-3-ylmethyl)urea
CID 92044792
US9884048, Example 271
CID 121416652
US9884048, Example 208
CID 121416679
US9884048, Example 283
CID 121432307

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-4-(5-cyclopropylthiophen-2-yl)-1-methylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea?
The IUPAC name of 1-[(3R,4S)-4-(5-cyclopropylthiophen-2-yl)-1-methylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea (CID 121416580) is 1-[(3R,4S)-4-(5-cyclopropylthiophen-2-yl)-1-methylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea.
What is the SMILES notation for 1-[(3R,4S)-4-(5-cyclopropylthiophen-2-yl)-1-methylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea?
The canonical SMILES for 1-[(3R,4S)-4-(5-cyclopropylthiophen-2-yl)-1-methylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea is Cc1cc(-n2ncc3cc(NC(=O)N[C@H]4CN(C)C[C@@H]4c4ccc(C5CC5)s4)ncc32)ccn1.
What is the InChIKey of 1-[(3R,4S)-4-(5-cyclopropylthiophen-2-yl)-1-methylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea?
The InChIKey is BVJGPRJEPFWVON-PMACEKPBSA-N. The full InChI is InChI=1S/C25H27N7OS/c1-15-9-18(7-8-26-15)32-21-12-27-24(10-17(21)11-28-32)30-25(33)29-20-14-31(2)13-19(20)23-6-5-22(34-23)16-3-4-16/h5-12,16,19-20H,3-4,13-14H2,1-2H3,(H2,27,29,30,33)/t19-,20-/m0/s1.
What are the key properties of 1-[(3R,4S)-4-(5-cyclopropylthiophen-2-yl)-1-methylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea?
1-[(3R,4S)-4-(5-cyclopropylthiophen-2-yl)-1-methylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea has a molecular weight of 473.61 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-4-(5-cyclopropylthiophen-2-yl)-1-methylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea is sourced from PubChem (CID 121416580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).