4-[[7-cyclopropylimino-5-[5-(piperidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C23H23N7O3S — CID 137047567

IUPAC4-[[7-cyclopropylimino-5-[5-(piperidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESO=C(c1ccc(-c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)s1)N1CCCCC1
InChIInChI=1S/C23H23N7O3S/c31-21-16(27-23(33)28-21)10-13-12-24-30-19(25-14-4-5-14)11-15(26-20(13)30)17-6-7-18(34-17)22(32)29-8-2-1-3-9-29/h6-7,10-12,14,31H,1-5,8-9H2,(H2,27,28,33)/b13-10?,25-19+
InChIKeyNKLVWHSNICNLRP-HWCGBWQRSA-N
MW477.55 g/mol
LogP1.42
Rot. Bonds4

About 4-[[7-cyclopropylimino-5-[5-(piperidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[[7-cyclopropylimino-5-[5-(piperidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137047567) has the molecular formula C23H23N7O3S and a molecular weight of 477.55 g/mol. Its IUPAC name is 4-[[7-cyclopropylimino-5-[5-(piperidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[[7-cyclopropylimino-5-[5-(piperidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID137047567
Molecular FormulaC23H23N7O3S
Molecular Weight477.55 g/mol
Exact Mass477.16
IUPAC Name4-[[7-cyclopropylimino-5-[5-(piperidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESO=C(c1ccc(-c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)s1)N1CCCCC1
InChIInChI=1S/C23H23N7O3S/c31-21-16(27-23(33)28-21)10-13-12-24-30-19(25-14-4-5-14)11-15(26-20(13)30)17-6-7-18(34-17)22(32)29-8-2-1-3-9-29/h6-7,10-12,14,31H,1-5,8-9H2,(H2,27,28,33)/b13-10?,25-19+
InChIKeyNKLVWHSNICNLRP-HWCGBWQRSA-N
XLogP1.42
TPSA131.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-cyclopropylimino-5-[5-(piperidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[[7-cyclopropylimino-5-[5-(piperidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 137047567) is 4-[[7-cyclopropylimino-5-[5-(piperidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[[7-cyclopropylimino-5-[5-(piperidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[[7-cyclopropylimino-5-[5-(piperidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is O=C(c1ccc(-c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)s1)N1CCCCC1.
What is the InChIKey of 4-[[7-cyclopropylimino-5-[5-(piperidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is NKLVWHSNICNLRP-HWCGBWQRSA-N. The full InChI is InChI=1S/C23H23N7O3S/c31-21-16(27-23(33)28-21)10-13-12-24-30-19(25-14-4-5-14)11-15(26-20(13)30)17-6-7-18(34-17)22(32)29-8-2-1-3-9-29/h6-7,10-12,14,31H,1-5,8-9H2,(H2,27,28,33)/b13-10?,25-19+.
What are the key properties of 4-[[7-cyclopropylimino-5-[5-(piperidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
4-[[7-cyclopropylimino-5-[5-(piperidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 477.55 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-cyclopropylimino-5-[5-(piperidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137047567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).